HRID822003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：O=C(C[N+]12CCC(CC1)C(OC(=O)C(Nc1ccccc1)c1ccccc1)C2)c1ccc(O)cc1

HCID76828745

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：CS(=O)(=O)Oc1ccc(C(=O)C[N+]23CCC(CC2)C(OC(=O)C(Nc2ccccc2)c2ccccc2)C3)cc1

HCID178505199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76d8d3d52e08448a90ddd83aade4a953
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br-:1].[CH3:37][S:38]([Cl:39])(=[O:40])=[O:41].[CH3:42][C:43]#[N:44].[Cl:46][CH2:47][Cl:48].[OH2:45].[OH:2][c:3]1[cH:4][cH:5][c:6]([C:9]([CH2:10][N+:11]23[CH2:12][CH:13]([O:19][C:20]([CH:21]([NH:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)=[O:35])[CH:14]([CH2:15][CH2:16]2)[CH2:17][CH2:18]3)=[O:36])[cH:7][cH:8]1>>[Br-:1].[O:2]([c:3]1[cH:4][cH:5][c:6]([C:9]([CH2:10][N+:11]23[CH2:12][CH:13]([O:19][C:20]([CH:21]([NH:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)=[O:35])[CH:14]([CH2:15][CH2:16]2)[CH2:17][CH2:18]3)=[O:36])[cH:7][cH:8]1)[S:38]([CH3:37])(=[O:40])=[O:41]